(3E)-3-[(4-methoxyphenyl)methylidene]-4-(trifluoromethyl)-1H-1,5-benzodiazepin-2-one

Systemtic Name: (3E)-3-[(4-methoxyphenyl)methylidene]-4-(trifluoromethyl)-1H-1,5-benzodiazepin-2-one Openeye Name: (3E)-3-[(4-methoxyphenyl)methylene]-4-(trifluoromethyl)-1H-1,5-benzodiazepin-2-one CAS Name: (3E)-3-[(4-methoxyphenyl)methylidene]-4-(trifluoromethyl)-1H-1,5-benzodiazepin-2-one IUPAC Name: (3E)-3-[(4-methoxyphenyl)methylidene]-4-(trifluoromethyl)-1H-1,5-benzodiazepin-2-one Traditional Name: (3E)-3-p-anisylidene-4-(trifluoromethyl)-1H-1,5-benzodiazepin-2-one Formula: C18H13F3N2O2 MolecularWeight: 346.30323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=NC3=CC=CC=C3NC2=O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/2\C(=NC3=CC=CC=C3NC2=O)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O2/c1-25-12-8-6-11(7-9-12)10-13-16(18(19,20)21)22-14-4-2-3-5-15(14)23-17(13)24/h2-10H,1H3,(H,23,24)/b13-10+